SCHEMBL31287447

SCHEMBL31287447

CCCCCC(O)c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 8/20 0.51
▸ GPR139 Q6DWJ6 3/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ CETP P11597 1/20 0.38
▸ SLC7A5 Q01650 3/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31287480 0.84 TOP1 (0.42) PDE2A
SCHEMBL31287536 0.77 PDE2A (0.45) PDE2A
SCHEMBL18290665 0.77 PDE2A (0.60) PDE2AGPR139
SCHEMBL31287496 0.76 MAPK1 (0.51) CETP
SCHEMBL13470654 0.75 PDE2A (0.43) PDE2A
SCHEMBL12883103 0.74 PDE2A (0.63) PDE2AGPR139
SCHEMBL13464609 0.74 PDE2A (0.42) PDE2A
SCHEMBL16442495 0.73 PDE2A (0.46) PDE2AGPR139HDAC3HDAC1HDAC2
SCHEMBL9234391 0.73 PDE2A (0.46) PDE2AGPR139HDAC3HDAC1HDAC2
SCHEMBL28183071 0.73 HDAC3 (0.47) PDE2AHDAC3HDAC1HDAC2CETP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025020191-A1 STEROID COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 珂阑(上海)医药科技有限公司 2025-01-30 — — WO disclosed
WO-2025021193-A1 STEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 珂阑(上海)医药科技有限公司 2025-01-30 — — WO disclosed
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